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Literature summary extracted from

  • Liao, R.Z.; Yu, J.G.; Himo, F.
    Mechanism of tungsten-dependent acetylene hydratase from quantum chemical calculations (2010), Proc. Natl. Acad. Sci. USA, 107, 22523-22527.
    View publication on PubMedView publication on EuropePMC

Metals/Ions

EC Number Metals/Ions Comment Organism Structure
4.2.1.112 Tungsten dependent on Syntrophotalea acetylenica

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
4.2.1.112 acetylene + H2O Syntrophotalea acetylenica
-
 acetaldehyde
-
 r

Organism

EC Number Organism UniProt Comment Textmining
4.2.1.112 Syntrophotalea acetylenica
-
-
-

Reaction

EC Number Reaction Comment Organism Reaction ID
4.2.1.112 acetaldehyde = acetylene + H2O active-site modeling and reaction mechanism, detailed overview. The mechanism starts with a ligand exchange step, in which the acetylene substrate displaces the tungsten-bound water molecule and binds to the metal in an eta2 fashion. Then the nucleophilic attack takes place nearly perpendicularly to the W-C-C plane, concerted nucleophilic attack-proton transfer transition state and the resulting vinyl anion intermediate, W=C=CH2 vinylidene intermediate, overview. To complete the reaction, the vinyl alcohol now needs only to tautomerize to acetaldehyde. At this point, the vinyl alcohol can be released and the interconversion can take place outside the active site. Alternative mechanisms, overview Syntrophotalea acetylenica
a

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
4.2.1.112 acetylene + H2O
-
 Syntrophotalea acetylenica acetaldehyde
-
 r